Molecule card · MolClass #48610

7973369

7973369: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names: 7973369Mitochondrial Fusion · compound_name
MolClass ID: 48610
InChIKey: NQGVBIIFCLTBIU-UHFFFAOYSA-N
Canonical SMILES: COc1ccc(cc1)N3C(=O)C(=CC=2C(=O)CCCC=23)C(=O)Nc4ccc5C(=O)NC(=O)c5(c4)
Standard InChI: InChI=1S/C25H19N3O6/c1-34-15-8-6-14(7-9-15)28-20-3-2-4-21(29)18(20)12-19(25(28)33)24(32)26-13-5-10-16-17(11-13)23(31)27-22(16)30/h5-12H,2-4H2,1H3,(H,26,32)(H,27,30,31)
Stored Murcko scaffold: c1ccc(cc1)N2[CH]C([CH]Nc3ccc4c[nH]cc4c3)=CC=5[CH]CCCC52

Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.

Molecules with the same Murcko scaffold

Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.

No other molecules currently have this stored scaffold.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 8; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 121.88 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 457.436 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.208; CDK 2.12 · 2026-08-19

Saved model predictions

Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 7973369